SCHEMBL9836893

SCHEMBL9836893

OCc1cc(O)cc(-c2ccco2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
PRMT6 Q96LA8 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
PTPN1 P18031 2/20 0.43
ERN1 O75460 4/20 0.41
KEAP1 Q14145 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TOP1 P11387 1/20 0.36
TLR8 Q9NR97 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6067949 0.83 ERN1 (0.49) PRMT6TAAR1PTPN1ERN1KEAP1
SCHEMBL9454526 0.79 PRMT6 (0.63) PRMT6TAAR1ERN1KEAP1ADORA3
SCHEMBL27569385 0.78 PRMT6 (0.49) PRMT6TAAR1ERN1KEAP1ADORA3
SCHEMBL120565 0.76 TAAR1 (0.66) PRMT6TAAR1ERN1KEAP1ADORA3
SCHEMBL4135657 0.75 PRMT6 (0.43) PRMT6TAAR1KEAP1ADORA3ADORA2A
SCHEMBL19662062 0.72 TAAR1 (0.58) PRMT6TAAR1PTPN1ERN1KEAP1
SCHEMBL30060639 0.72 KEAP1 (0.58) PRMT6TAAR1ERN1KEAP1ADORA3
SCHEMBL418106 0.72 KEAP1 (0.58) PRMT6TAAR1ERN1KEAP1ADORA3
SCHEMBL1346211 0.69 PRMT6 (0.59) PRMT6TAAR1ERN1KEAP1ADORA3
SCHEMBL419195 0.69 TAAR1 (0.61) TAAR1ERN1KEAP1ADORA2AADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304139-B1 PROCESS FOR MAKING 5-HYDROXY-3-HYDROXYMETHYL-2-PHENYLFURAN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-11 EP disclosed
EP-0304139-A1 Process for making 5-hydroxy-3-hydroxymethyl-2-phenylfuran derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-22 EP disclosed